2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid

C11H13NO4 — CID 77013461

IUPAC2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid
SMILESCCOc1cccc(C=NOCC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-2-15-10-5-3-4-9(6-10)7-12-16-8-11(13)14/h3-7H,2,8H2,1H3,(H,13,14)
InChIKeyRSVFAWRSHYRELI-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.52
Rot. Bonds6

About 2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid

2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid (PubChem CID 77013461) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid
PubChem CID77013461
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid
SMILESCCOc1cccc(C=NOCC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-2-15-10-5-3-4-9(6-10)7-12-16-8-11(13)14/h3-7H,2,8H2,1H3,(H,13,14)
InChIKeyRSVFAWRSHYRELI-UHFFFAOYSA-N
XLogP1.52
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[3-(3-chlorophenoxy)prop-1-ynyl]phenyl]methylideneamino]oxyacetic acid
CID 76545370
2-(naphthalen-2-ylmethylideneamino)oxyacetic acid
CID 77013552
2-[[3-[3-[(3-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91584716
2-[[3-[3-(naphthalen-2-ylmethoxy)phenyl]phenyl]methylideneamino]oxyacetic acid
CID 72812195
2-[2-[[3-(ethoxyiminomethyl)phenoxy]methyl]phenyl]-3-methoxyprop-2-enoic acid
CID 123928210
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
1-ethenyl-3-ethoxybenzene
CID 11672687
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid
CID 77013169
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
2-[3-[(3,4-dimethylphenyl)iminomethyl]phenoxy]acetic acid
CID 126205614
2-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]phenyl]methylideneamino]oxyacetic acid
CID 91371607

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid (CID 77013461) is 2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid is CCOc1cccc(C=NOCC(=O)O)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid?
The InChIKey is RSVFAWRSHYRELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-15-10-5-3-4-9(6-10)7-12-16-8-11(13)14/h3-7H,2,8H2,1H3,(H,13,14).
What are the key properties of 2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid?
2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid has a molecular weight of 223.23 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenyl)methylideneamino]oxyacetic acid is sourced from PubChem (CID 77013461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).